SCHEMBL16606262

SCHEMBL16606262

O=S(=O)(O)CCCOCCOCCOCCOCCOc1ccccc1OCCOCCOCCOCCOCCCS(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
PTK2B Q14289 2/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.44
JAK2 O60674 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
NCF1 P14598 3/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22261698 1.00 ALDH1A1 (0.49) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL22261688 1.00 ALDH1A1 (0.49) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL22261738 1.00 ALDH1A1 (0.49) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL16609982 1.00 ALDH1A1 (0.49) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL16606245 1.00 ALDH1A1 (0.49) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL21184481 0.98 ALDH1A1 (0.47) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL16594657 0.98 ALDH1A1 (0.47) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL21184467 0.98 ALDH1A1 (0.47) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL22261748 0.95 ALDH1A1 (0.47) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2
SCHEMBL22261689 0.95 ALDH1A1 (0.47) ALDH1A1PTK2BKMT2ALMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052465-B1 POLYFUNCTIONALIZED POLYETHYLENE AND POLYPROPYLENE GLYCOL USEFUL AS TRACERS RESMAN AS (NO) 2020-07-29 EP claimed
US-20160214930-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2016-07-28 US disclosed
US-20150094240-A1 CHEMICAL COMPOUNDS RESMAN AS (NO) 2015-04-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160214930-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ALDH1A1 1333/4885PTK2B 1196/4885KMT2A 4547/4885
US-20150094240-A1 CHEMICAL COMPOUNDS PTGES, PTGIS, PTGFR ALDH1A1 1333/4885PTK2B 1196/4885KMT2A 4547/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.